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101871-32-3 | Butanoic acid, 4-(butylamino)-4-oxo-, methyl ester
CAS No: 101871-32-3 Catalog No: AG0005SX MDL No:
Product Description
Catalog Number:
AG0005SX
Chemical Name:
Butanoic acid, 4-(butylamino)-4-oxo-, methyl ester
CAS Number:
101871-32-3
Molecular Formula:
C9H17NO3
Molecular Weight:
187.2362
IUPAC Name:
methyl 4-(butylamino)-4-oxobutanoate
InChI:
InChI=1S/C9H17NO3/c1-3-4-7-10-8(11)5-6-9(12)13-2/h3-7H2,1-2H3,(H,10,11)
InChI Key:
RMDGZWYDWSLLQY-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)CCC(=O)OC
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.121g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.239g/mol
Monoisotopic Mass:
187.121g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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